dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane

C11H26NO2+ — CID 162204200

IUPACdimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane
SMILESC.C.CC(=O)CC[N+](C)(C)CCC=O
InChIInChI=1S/C9H18NO2.2CH4/c1-9(12)5-7-10(2,3)6-4-8-11;;/h8H,4-7H2,1-3H3;2*1H4/q+1;;
InChIKeyNZXRJTMSZGUXEZ-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.90
Rot. Bonds6

About dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane

dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane (PubChem CID 162204200) has the molecular formula C11H26NO2+ and a molecular weight of 204.33 g/mol. Its IUPAC name is dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane.

Molecular Properties

Compound Namedimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane
PubChem CID162204200
Molecular FormulaC11H26NO2+
Molecular Weight204.33 g/mol
Exact Mass204.20
IUPAC Namedimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane
SMILESC.C.CC(=O)CC[N+](C)(C)CCC=O
InChIInChI=1S/C9H18NO2.2CH4/c1-9(12)5-7-10(2,3)6-4-8-11;;/h8H,4-7H2,1-3H3;2*1H4/q+1;;
InChIKeyNZXRJTMSZGUXEZ-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(3-oxobutyl)azanium;hydrobromide
CID 126960673
N-methylmethanamine;5-oxohexanal
CID 144530013
3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium
CID 54289687
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
hexane-2,5-dione
CID 8035
ethyl-dimethyl-(4-oxopentyl)azanium
CID 88869769
3-methyl-7-oxooct-3-enal
CID 91303199
3-[dimethyl(3-oxopent-4-enyl)azaniumyl]propyl-dimethyl-(3-oxopent-4-enyl)azanium
CID 160766198
6-oxohept-2-enal
CID 57259374
2,5-dioxohexanal
CID 118437747
3-(4-acetylphenyl)propanal
CID 11030349
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane?
The IUPAC name of dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane (CID 162204200) is dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane.
What is the SMILES notation for dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane?
The canonical SMILES for dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane is C.C.CC(=O)CC[N+](C)(C)CCC=O.
What is the InChIKey of dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane?
The InChIKey is NZXRJTMSZGUXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2.2CH4/c1-9(12)5-7-10(2,3)6-4-8-11;;/h8H,4-7H2,1-3H3;2*1H4/q+1;;.
What are the key properties of dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane?
dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane has a molecular weight of 204.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane is sourced from PubChem (CID 162204200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).